Geometry & MOs

Info

ID:	300475
PubChem CID:	121290966
Reduced:	ClN9C20H22 (1)
Stoich.:	AB9C20D22 (1)
Weight, g/mol:	203.97035
ΔH_f, kcal/mol:	145.11
Dipole, Da:	4.65
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)phosphane;hydrobromide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N(C)C3CCN(CC3)C4=NC=C(C=C4)C#N)Cl

DOS

IR

Vibrations